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6B9O
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BU of 6b9o by Molmil
Structure of GH 38 Jack Bean alpha-mannosidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase from Canavalia ensiformis (jack bean), ZINC ION, ...
著者Howard, E, Cousido-Siah, A, Lepage, M, Bodlenner, A, Mitschler, A, Meli, A, De Riccardis, F, Izzo, I, Podjarny, A, Compain, P.
登録日2017-10-11
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.841 Å)
主引用文献Structural Basis of Outstanding Multivalent Effects in Jack Bean alpha-Mannosidase Inhibition.
Angew. Chem. Int. Ed. Engl., 57, 2018
6B9P
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BU of 6b9p by Molmil
Structure of GH 38 Jack Bean alpha-mannosidase in complex with a 36-valent iminosugar cluster inhibitor
分子名称: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{9-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]nonyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase from Canavalia ensiformis (jack bean), ...
著者Howard, E, Cousido-Siah, A, Lepage, M, Bodlenner, A, Mitschler, A, Meli, A, De Riccardis, F, Izzo, I, Podjarny, A, Compain, P.
登録日2017-10-11
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献Structural Basis of Outstanding Multivalent Effects in Jack Bean alpha-Mannosidase Inhibition.
Angew. Chem. Int. Ed. Engl., 57, 2018
2AGT
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BU of 2agt by Molmil
Aldose Reductase Mutant Leu 300 Pro complexed with Fidarestat
分子名称: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ...
著者Petrova, T, Steuber, H, Hazemann, I, Cousido-Siah, A, Mitschler, A, Chung, R, Oka, M, Klebe, G, El-Kabbani, O, Joachimiak, A, Podjarny, A.
登録日2005-07-27
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Factorizing Selectivity Determinants of Inhibitor Binding toward Aldose and Aldehyde Reductases: Structural and Thermodynamic Properties of the Aldose Reductase Mutant Leu300Pro-Fidarestat Complex
J.Med.Chem., 48, 2005
5CE5
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BU of 5ce5 by Molmil
Probing the roles of two tryptophans surrounding the unique zinc coordination site in lipase family I.5
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, CALCIUM ION, ...
著者Sezerman, O.U, Podjarny, A.D, Emel, T, Cousido-Siah, A, Mitschler, A.
登録日2015-07-06
公開日2015-12-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Probing the roles of two tryptophans surrounding the unique zinc coordination site in lipase family I.5.
Proteins, 84, 2016
8AEL
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BU of 8ael by Molmil
SYNJ2BP complex with a synthetic Vangl2 peptide (3mer).
分子名称: CALCIUM ION, GLY-GLY-GLY-THR-SER-VAL, GLYCEROL, ...
著者Carrasco, K, Cousido Siah, A, Gogl, G, Betzi, S, McEwen, A, Kostmann, C, Trave, G.
登録日2022-07-13
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献SYNJ2BP PDZ domain in complex with a synthetic Vangl2 peptide.
To Be Published
3QF6
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BU of 3qf6 by Molmil
Neutron structure of type-III Antifreeze Protein allows the reconstruction of AFP-ice interface
分子名称: Type-3 ice-structuring protein HPLC 12
著者Howard, E.I, Blakeley, M.P, Haertlein, M, Petit-Haertlein, I, Mitschler, A, Fisher, S.J, Cousido-Siah, A, Salvay, A.G, Popov, A, Muller-Dieckmann, C, Petrova, T, Podjarny, A.
登録日2011-01-21
公開日2011-06-22
最終更新日2024-03-20
実験手法NEUTRON DIFFRACTION (1.85 Å)
主引用文献Neutron structure of type-III antifreeze protein allows the reconstruction of AFP-ice interface.
J.Mol.Recognit., 24, 2011
5NRF
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BU of 5nrf by Molmil
Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7i
分子名称: 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-chlorophenyl)ethyl]-~{N}-(phenylmethyl)piperidin-4-amine, Chitotriosidase-1, GLYCEROL
著者Mazur, M, Olczak, J, Olejniczak, S, Koralewski, R, Czestkowski, W, Jedrzejczak, A, Golab, J, Dzwonek, K, Dymek, B, Sklepkiewicz, P, Zagozdzon, A, Noonan, T, Mahboubi, K, Conway, B, Sheeler, R, Beckett, P, Hungerford, W.M, Podjarny, A, Mitschler, A, Cousido-Siah, A, Fadel, F, Golebiowski, A.
登録日2017-04-22
公開日2018-03-28
実験手法X-RAY DIFFRACTION (1.447 Å)
主引用文献Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma.
J. Med. Chem., 61, 2018
7R2M
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BU of 7r2m by Molmil
SYNJ2BP complex with a synthetic Vangl2 peptide (9mer).
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, GLYCEROL, ...
著者Carrasco, K, Cousido Siah, A, Gogl, G, Betzi, S, McEwen, A, Kostmann, C, Trave, G.
登録日2022-02-04
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献SYNJ2BP PDZ domain in complex with a synthetic Vangl2 peptide.
To Be Published
7R2T
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BU of 7r2t by Molmil
SYNJ2BP complex with a phosphorylated Vangl2 peptide at the P-1 position.
分子名称: CALCIUM ION, GLYCEROL, Synaptojanin-2-binding protein,Annexin, ...
著者Carrasco, K, Cousido Siah, A, Gogl, G, Betzi, S, McEwen, A, Kostmann, C, Trave, G.
登録日2022-02-05
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献SYNJ2BP PDZ domain in complex with a synthetic Vangl2 peptide.
To Be Published
2QXW
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BU of 2qxw by Molmil
Perdeuterated alr2 in complex with idd594
分子名称: Aldose reductase, CITRIC ACID, IDD594, ...
著者Blakeley, M.P, Ruiz, F, Cachau, R, Hazemann, I, Meilleur, F, Mitschler, A, Ginell, S, Afonine, P, Ventura, O, Cousido-Siah, A, Joachimiak, A, Myles, D, Podjarny, A.
登録日2007-08-13
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5HBF
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BU of 5hbf by Molmil
Crystal structure of human full-length chitotriosidase (CHIT1)
分子名称: Chitotriosidase-1, GLYCEROL
著者Fadel, F, Zhao, Y, Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A.
登録日2015-12-31
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献X-Ray Crystal Structure of the Full Length Human Chitotriosidase (CHIT1) Reveals Features of Its Chitin Binding Domain.
Plos One, 11, 2016
5HR1
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BU of 5hr1 by Molmil
Crystal structure of thioredoxin L107A mutant
分子名称: COPPER (II) ION, Thioredoxin-1
著者Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J.
登録日2016-01-22
公開日2017-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.144 Å)
主引用文献Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants.
Sci Rep, 7, 2017
5HR2
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BU of 5hr2 by Molmil
Crystal structure of thioredoxin L94A mutant
分子名称: COPPER (II) ION, Thioredoxin
著者Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J.
登録日2016-01-22
公開日2017-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants.
Sci Rep, 7, 2017
5HR0
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BU of 5hr0 by Molmil
Crystal structure of thioredoxin E101G mutant
分子名称: COPPER (II) ION, Thioredoxin
著者Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J.
登録日2016-01-22
公開日2017-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants.
Sci Rep, 7, 2017
5HR3
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BU of 5hr3 by Molmil
Crystal structure of thioredoxin N106A mutant
分子名称: COPPER (II) ION, ETHANOL, SULFATE ION, ...
著者Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J.
登録日2016-01-22
公開日2017-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.101 Å)
主引用文献Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants.
Sci Rep, 7, 2017
6SJA
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BU of 6sja by Molmil
Structure of HPV16 E6 oncoprotein in complex with IRF3 LxxLL motif
分子名称: Maltose/maltodextrin-binding periplasmic protein,Interferon regulatory factor 3, Protein E6, ZINC ION, ...
著者Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Mitschler, A, Podjarny, A, Trave, G.
登録日2019-08-13
公開日2019-09-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Deciphering de molecular and structural interaction between IRF3 and HPV16 E6
To be published
6SIV
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BU of 6siv by Molmil
Structure of HPV16 E6 oncoprotein in complex with mutant IRF3 LxxLL motif
分子名称: Maltose/maltodextrin-binding periplasmic protein,Interferon regulatory factor 3, Protein E6, ZINC ION, ...
著者Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Mitschler, A, Podjarny, A, Trave, G.
登録日2019-08-12
公開日2019-08-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Deciphering the molecular and structural interaction between IRF3 and HPV16 E6
To be published
6TWZ
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BU of 6twz by Molmil
14-3-3 sigma complexed with a phosphorylated 16E6 peptide
分子名称: 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, D(-)-TARTARIC ACID, ...
著者Gogl, G, Cousido-Siah, A, Sluchanko, N.N, Trave, G.
登録日2020-01-13
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study.
Structure, 28, 2020
6TWY
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BU of 6twy by Molmil
MAGI1_2 complexed with a phosphomimetic RSK1 peptide
分子名称: CALCIUM ION, CITRIC ACID, GLYCEROL, ...
著者Gogl, G, Cousido-Siah, A, Trave, G.
登録日2020-01-13
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study.
Structure, 28, 2020
6TWU
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BU of 6twu by Molmil
MAGI1_2 complexed with a phosphomimetic 16E6 peptide
分子名称: CALCIUM ION, CITRIC ACID, GLYCEROL, ...
著者Gogl, G, Cousido-Siah, A, Trave, G.
登録日2020-01-13
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study.
Structure, 28, 2020
6TWQ
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BU of 6twq by Molmil
MAGI1_2 complexed with a 16E6 peptide
分子名称: CALCIUM ION, CITRIC ACID, GLYCEROL, ...
著者Gogl, G, Cousido-Siah, A, Trave, G.
登録日2020-01-13
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study.
Structure, 28, 2020
6SJV
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BU of 6sjv by Molmil
Structure of HPV18 E6 oncoprotein in complex with mutant E6AP LxxLL motif
分子名称: Maltodextrin-binding protein,Protein E6,Ubiquitin-protein ligase E3A, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Kostmann, C, Mitschler, A, Podjarny, A, Trave, G.
登録日2019-08-14
公開日2019-09-04
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.029 Å)
主引用文献Cellular target recognition by HPV18 and HPV49 oncoproteins
To be published
6SMV
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BU of 6smv by Molmil
Structure of HPV49 E6 protein in complex with MAML1 LxxLL motif
分子名称: DI(HYDROXYETHYL)ETHER, Maltose/maltodextrin-binding periplasmic protein,Protein E6,Mastermind-like protein 1, ZINC ION, ...
著者Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Kostmann, C, Mitschler, A, Podjarny, A, Trave, G.
登録日2019-08-22
公開日2019-09-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Cellular target recognition by HPV18 and HPV49 oncoproteins
To be published
6TWX
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BU of 6twx by Molmil
MAGI1_2 complexed with a phosphorylated 16E6 peptide
分子名称: 16E6 peptide, CALCIUM ION, CITRIC ACID, ...
著者Gogl, G, Cousido-Siah, A, Trave, G.
登録日2020-01-13
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study.
Structure, 28, 2020
5M2F
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BU of 5m2f by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and the synthetic retinoid UVI2008
分子名称: 1,2-ETHANEDIOL, 3-bromo-4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid, Aldo-keto reductase family 1 member B10, ...
著者Ruiz, F.X, Cousido-Siah, A, Mitschler, A, Porte, S, Alvarez, S, Dominguez, M, Alvarez, R, de Lera, A.R, Pares, X, Farres, J, Podjarny, A.
登録日2016-10-12
公開日2017-02-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.503 Å)
主引用文献Structural basis for the inhibition of AKR1B10 by the C3 brominated TTNPB derivative UVI2008.
Chem. Biol. Interact., 276, 2017

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